SCHEMBL20096935

SCHEMBL20096935

CN1CNc2ncnc(N)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.39
▸ LIMK1 P53667 3/20 0.39
▸ LRRK2 Q5S007 3/20 0.39
▸ CHEK1 O14757 2/20 0.39
▸ DAPK3 O43293 2/20 0.39
▸ PRKD3 O94806 2/20 0.39
▸ MAP4K4 O95819 2/20 0.39
▸ RET P07949 2/20 0.39
▸ FGFR1 P11362 2/20 0.39
▸ FLT1 P17948 2/20 0.39
▸ LTK P29376 2/20 0.39
▸ GRK5 P34947 2/20 0.39
▸ CSNK1A1 P48729 2/20 0.39
▸ CDK8 P49336 2/20 0.39
▸ CDK7 P50613 2/20 0.39
▸ RPS6KA3 P51812 2/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ TYRO3 Q06418 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20096657 0.75 YTHDC1 (0.38) MAP4K4CLK4CSF1R
SCHEMBL14580328 0.70 KDM4E (0.35) KDRLIMK1LRRK2CHEK1DAPK3
SCHEMBL23815922 0.69 ADORA2A (0.33) KDRLIMK1LRRK2CHEK1DAPK3
SCHEMBL23892134 0.66 CDK2 (0.47) PRKACA
SCHEMBL19417814 0.62 HRH4 (0.37) —
SCHEMBL29044216 0.62 ADORA2A (0.36) KDRLIMK1LRRK2CHEK1DAPK3
SCHEMBL19204413 0.61 NOS1 (0.47) —
SCHEMBL24954034 0.60 KDR (0.40) KDRLIMK1LRRK2CHEK1DAPK3
SCHEMBL30159493 0.60 KDR (0.40) KDRLIMK1LRRK2CHEK1DAPK3
Vitamin B4 SCHEMBL4257555 0.60 KDR (0.43) KDRLIMK1LRRK2CHEK1DAPK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018075947-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-26 — — WO disclosed
Send feedback